4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide

C26H34ClN3O — CID 44560243

IUPAC4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide
SMILESCc1ccccc1C(c1ccc(Cl)cc1)N1CCN(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C26H34ClN3O/c1-20-8-6-7-11-24(20)25(21-12-14-22(27)15-13-21)29-16-18-30(19-17-29)26(31)28-23-9-4-2-3-5-10-23/h6-8,11-15,23,25H,2-5,9-10,16-19H2,1H3,(H,28,31)
InChIKeyAMOQRGVXFGDBST-UHFFFAOYSA-N
MW440.03 g/mol
LogP5.79
Rot. Bonds4

About 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide

4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide (PubChem CID 44560243) has the molecular formula C26H34ClN3O and a molecular weight of 440.03 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide
PubChem CID44560243
Molecular FormulaC26H34ClN3O
Molecular Weight440.03 g/mol
Exact Mass439.24
IUPAC Name4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide
SMILESCc1ccccc1C(c1ccc(Cl)cc1)N1CCN(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C26H34ClN3O/c1-20-8-6-7-11-24(20)25(21-12-14-22(27)15-13-21)29-16-18-30(19-17-29)26(31)28-23-9-4-2-3-5-10-23/h6-8,11-15,23,25H,2-5,9-10,16-19H2,1H3,(H,28,31)
InChIKeyAMOQRGVXFGDBST-UHFFFAOYSA-N
XLogP5.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.03
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Norchlorcyclizine
CID 9340
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
Cumyluron
CID 11709249
Norchlorcyclizine, (-)-
CID 668697
1-(1-Benzyl-piperidin-4-yl)-4-(4-chloro-phenyl)-5-methyl-1,3-dihydro-imidazol-2-one
CID 10643588
N-(4-chlorophenethyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42643589
N-(2,4-dichlorobenzyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42647178
4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-cyclohexylpiperazine-1-carboxamide
CID 44176908
N-Cyclohexyl-4-[(2,4-dichlorophenyl)(p-tolyl)methyl]piperazine-1-carboxamide
CID 44177373
N-cyclohexyl-4-[(S)-(2,4-dichlorophenyl)-(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 56930624
3-[4-[2-(8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1,1-dimethylurea
CID 146025779
3-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1,1-dimethylurea
CID 162677036

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide (CID 44560243) is 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide is Cc1ccccc1C(c1ccc(Cl)cc1)N1CCN(C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide?
The InChIKey is AMOQRGVXFGDBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O/c1-20-8-6-7-11-24(20)25(21-12-14-22(27)15-13-21)29-16-18-30(19-17-29)26(31)28-23-9-4-2-3-5-10-23/h6-8,11-15,23,25H,2-5,9-10,16-19H2,1H3,(H,28,31).
What are the key properties of 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide?
4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide has a molecular weight of 440.03 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide is sourced from PubChem (CID 44560243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).